SCHEMBL12426288

SCHEMBL12426288

Cc1cccc(-c2cc(-n3ccc4cncnc43)c3cccnc3n2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 7/20 0.39
▸ TGFBR1 P36897 10/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ IDO1 P14902 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12425354 0.84 TGFBR1 (0.49) TGFBR1CYP2A6IDO1
SCHEMBL12424772 0.80 MKNK2 (0.40) MKNK2MKNK1
SCHEMBL12424834 0.77 IDO1 (0.39) MKNK2TGFBR1MKNK1CYP3A4IDO1
SCHEMBL246878 0.72 ADORA1 (0.48) TGFBR1CYP2A6CCR1CCR8CYP3A4
SCHEMBL14241409 0.71 CCR1 (0.50) TGFBR1CYP2A6CCR1CCR8CYP3A4
SCHEMBL12426538 0.71 ELANE (0.39) TGFBR1CYP2A6CCR1CCR8CYP3A4
SCHEMBL246499 0.70 TGFBR1 (0.43) TGFBR1CYP2A6CCR1CCR8CYP3A4
SCHEMBL19791346 0.69 CCR1 (0.47) TGFBR1CYP2A6CCR1CCR8CYP3A4
SCHEMBL12424714 0.69 ADORA2A (0.48) TGFBR1CYP2A6CCR1CCR8CYP3A4
SCHEMBL12424718 0.69 CCR1 (0.47) TGFBR1CYP2A6CCR1CCR8CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 — — EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 — — US disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 — — US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 — — US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 — — US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D MKNK2 3006/4885TGFBR1 3742/4885CYP2A6 1196/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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